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Velocity autocorrelation function of a Brownian particle

机译:布朗粒子的速度自相关函数

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In this article, we present molecular dynamics study of the velocity autocorrelation function (VACF) of a Brownian particle. We compare the results of the simulation with the exact analytic predictions for a compressible fluid from [T.S. Chow, J.J. Hermans, Physica 65, 156 (1973)] and an approximate result combining the predictions from hydrodynamics at short and long times. The physical quantities which determine the decay were determined from separate bulk simulations of the Lennard-Jones fluid at the same thermodynamic state point. We observe that the long-time regime of the VACF compares well the predictions from the macroscopic hydrodynamics, but the intermediate decay is sensitive to the viscoelastic nature of the solvent.
机译:在本文中,我们介绍了布朗粒子速度自相关函数(VACF)的分子动力学研究。我们将模拟结果与[TS]的可压缩流体的精确分析预测进行了比较。周杰伦Hermans,Physica 65,156(1973)]和近似结果结合了短时和长时流体动力学的预测。决定衰减的物理量是通过在同一热力学状态点进行的Lennard-Jones流体的单独本体模拟确定的。我们观察到,VACF的长期状态很好地比较了宏观流体动力学的预测结果,但中间衰减对溶剂的粘弹性敏感。

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